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Title: Radionuclide Incorporation and Long Term Performance of Apatite Waste Forms

This project aims to combines state-of-the-art experimental and characterization techniques with atomistic simulations based on density functional theory (DFT) and molecular dynamics (MD) simulations. With an initial focus on long-lived I-129 and other radionuclides such as Cs, Sr in apatite structure, specific research objectives include the atomic scale understanding of: (1) incorporation behavior of the radionuclides and their effects on the crystal chemistry and phase stability; (2) stability and microstructure evolution of designed waste forms under coupled temperature and radiation environments; (3) incorporation and migration energetics of radionuclides and release behaviors as probed by DFT and molecular dynamics (MD) simulations; and (4) chemical durability as measured in dissolution experiments for long term performance evaluation and model validation.
Authors:
 [1] ;  [2] ;  [3]
  1. Louisiana State Univ., Baton Rouge, LA (United States)
  2. Rensselaer Polytechnic Inst., Troy, NY (United States)
  3. Univ. of Michigan, Ann Arbor, MI (United States)
Publication Date:
OSTI Identifier:
1248954
Report Number(s):
11--3105
11-3105
DOE Contract Number:
AC07-05ID14517
Resource Type:
Technical Report
Research Org:
Louisiana State Univ., Baton Rouge, LA (United States)
Sponsoring Org:
USDOE Office of Nuclear Energy (NE)
Country of Publication:
United States
Language:
English
Subject:
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE WASTES FROM NUCLEAR FACILITIES